General Information of the Compound
| Compound ID |
CP0565875
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| Compound Name |
4-[6-(4-hydroxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C25H18N4O4
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| Molecular Weight |
438.443
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| Canonical SMILES |
OCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
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| InChI |
InChI=1S/C25H18N4O4/c30-15-3-5-24(31)28-18-8-11-21-20(16-18)22(12-14-26-21)33-19-9-6-17(7-10-19)25(32)29-23-4-1-2-13-27-23/h1-2,4,6-14,16,30H,15H2,(H,28,31)(H,27,29,32)
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| InChIKey |
CLULIRQIGKTNOX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound